Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | KARS1 | Q15046 | 3/20 | 0.40 |
| ▸ | ABL1 | P00519 | 4/20 | 0.39 |
| ▸ | BCR | P11274 | 4/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20114490 | 0.80 | PARP1 (0.48) | MEN1KMT2A | |
| SCHEMBL12408987 | 0.75 | CYP2A6 (0.65) | CYP2A6CNR1CCR1CCR5CCR8 | |
| SCHEMBL842300 | 0.75 | PARP1 (0.61) | CYP2A6CNR1CCR1CCR5CCR8 | |
| SCHEMBL23259447 | 0.73 | CYP2A6 (0.58) | CYP2A6CNR1CCR1CCR5CCR8 | |
| SCHEMBL30469353 | 0.72 | KARS1 (0.61) | CYP2A6CNR1CCR1CCR5CCR8 | |
| SCHEMBL3490679 | 0.72 | KARS1 (0.61) | CYP2A6CNR1CCR1CCR5CCR8 | |
| SCHEMBL23525600 | 0.72 | CYP2A6 (0.57) | CYP2A6CNR1CCR1CCR5CCR8 | |
| SCHEMBL30705187 | 0.72 | CYP2A6 (0.57) | CYP2A6CNR1CCR1CCR5CCR8 | |
| SCHEMBL24689981 | 0.72 | DHODH (0.42) | MEN1MAPTKMT2A | |
| SCHEMBL2479816 | 0.71 | CYP2A6 (0.59) | CYP2A6CNR1CCR1CCR5CCR8 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3070081-B1 | BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION | GILEAD SCIENCES INC (US) | 2018-02-28 | — | — | EP | disclosed |